1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

C12H14FN3O2 — CID 95052140

IUPAC1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESCC1=NO[C@@H](CNC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C12H14FN3O2/c1-8-6-11(18-16-8)7-14-12(17)15-10-4-2-9(13)3-5-10/h2-5,11H,6-7H2,1H3,(H2,14,15,17)/t11-/m1/s1
InChIKeyZMZSUUUVAQEURF-LLVKDONJSA-N
MW251.26 g/mol
LogP2.11
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (PubChem CID 95052140) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
PubChem CID95052140
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
SMILESCC1=NO[C@@H](CNC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C12H14FN3O2/c1-8-6-11(18-16-8)7-14-12(17)15-10-4-2-9(13)3-5-10/h2-5,11H,6-7H2,1H3,(H2,14,15,17)/t11-/m1/s1
InChIKeyZMZSUUUVAQEURF-LLVKDONJSA-N
XLogP2.11
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (CID 95052140) is 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is CC1=NO[C@@H](CNC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
The InChIKey is ZMZSUUUVAQEURF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-8-6-11(18-16-8)7-14-12(17)15-10-4-2-9(13)3-5-10/h2-5,11H,6-7H2,1H3,(H2,14,15,17)/t11-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?
1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 251.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 95052140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).